SCHEMBL3815673

SCHEMBL3815673

O=C(O)NC1CCCC2CNCC21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.39
CHRNB2 P17787 5/20 0.35
CHRNA4 P43681 5/20 0.35
CHRNA7 P36544 4/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5649655 0.89 CHRNB2 (0.37) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL2416817 0.89 CHRNB2 (0.37) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL9873249 0.86 ALDH1A1 (0.42) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL9873855 0.86 ALDH1A1 (0.42) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL9874618 0.82 KDM4E (0.39) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL16030794 0.79 SSTR4 (0.36) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL16030790 0.79 SSTR4 (0.36) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL16030792 0.79 SSTR4 (0.36) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL22236155 0.79 CHRNB2 (0.42) SSTR4CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL7502974 0.78 BTK (0.43) SSTR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911643-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 EP disclosed
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
US-8278313-B2 Macrocyclic spiro pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP SSTR4 4501/4885CHRNB2 4849/4885CHRNA4 4858/4885
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives DPYD, TYMS, TYMP SSTR4 3659/4885CHRNB2 4872/4885CHRNA4 4869/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.